4-[2-[bis(prop-2-enyl)amino]ethyl]-N-(2,5-dimethoxyphenyl)piperazine-1-carbothioamide

Systemtic Name: 4-[2-[bis(prop-2-enyl)amino]ethyl]-N-(2,5-dimethoxyphenyl)piperazine-1-carbothioamide Openeye Name: 4-[2-(diallylamino)ethyl]-N-(2,5-dimethoxyphenyl)piperazine-1-carbothioamide CAS Name: 4-[2-[bis(prop-2-enyl)amino]ethyl]-N-(2,5-dimethoxyphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-[2-[bis(prop-2-enyl)amino]ethyl]-N-(2,5-dimethoxyphenyl)piperazine-1-carbothioamide Traditional Name: 4-[2-(diallylamino)ethyl]-N-(2,5-dimethoxyphenyl)piperazine-1-carbothioamide Formula: C21H32N4O2S MolecularWeight: 404.56938

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC(=S)N2CCN(CC2)CCN(CC=C)CC=C

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC(=S)N2CCN(CC2)CCN(CC=C)CC=C

InChI

InChI=1S/C21H32N4O2S/c1-5-9-23(10-6-2)11-12-24-13-15-25(16-14-24)21(28)22-19-17-18(26-3)7-8-20(19)27-4/h5-8,17H,1-2,9-16H2,3-4H3,(H,22,28)